Table 3 Energy, angle, B-factor of the mutation candidates.

From: Stability and functional consequences of disulfide bond engineering in Aspergillus flavus uricase

Res1 chain

Res1 seq

Res1 AA

Res2 chain

Res2 seq

Res2 AA

Chi3

Energy

Sum B-factors

A

2

ALA

C

295

SER

110.37

0.84

54.36

A

295

SER

C

2

ALA

110.37

0.84

54.36

B

2

ALA

D

295

SER

110.37

0.84

54.36

B

295

SER

D

2

ALA

110.37

0.84

54.36

A

49

ALA

C

225

ALA

−81.79

1.11

14.35

A

225

ALA

C

49

ALA

−81.79

1.11

14.35

B

49

ALA

D

225

ALA

−81.79

1.11

14.35

B

225

ALA

D

49

ALA

−81.79

1.11

14.35

A

283

ASP

C

12

ASN

93.9

1.32

9.7

B

283

ASP

D

12

ASN

93.9

1.32

9.7

A

12

ASN

C

283

ASP

93.9

1.33

9.7

B

12

ASN

D

283

ASP

93.9

1.33

9.7

A

6

ALA

C

290

CYS

119.11

2.34

14.12

A

290

CYS

C

6

ALA

119.11

2.34

14.12

B

6

ALA

D

290

CYS

119.11

2.34

14.12

B

290

CYS

D

6

ALA

119.11

2.34

14.12

A

11

ASP

C

287

LEU

114.51

2.88

9.07

A

287

LEU

C

11

ASP

114.51

2.88

9.07

B

11

ASP

D

287

LEU

114.51

2.88

9.07

B

287

LEU

D

11

ASP

114.51

2.88

9.07

A

14

ARG

D

280

PRO

110.91

3.15

8.92

A

280

PRO

D

14

ARG

110.91

3.15

8.92

B

14

ARG

C

280

PRO

110.91

3.15

8.92

B

280

PRO

C

14

ARG

110.91

3.15

8.92

B

119

SER

C

220

ALA

−86.19

3.29

13

A

119

SER

D

220

ALA

−86.19

3.31

13

A

220

ALA

D

119

SER

−86.19

3.34

13

B

220

ALA

C

119

SER

−86.19

3.37

13

A

170

LEU

C

58

ASP

104.49

3.63

12.19

A

58

ASP

C

170

LEU

104.49

3.64

12.19

B

58

ASP

D

170

LEU

104.49

3.64

12.19

B

170

LEU

D

58

ASP

104.49

3.64

12.19

A

57

THR

C

286

GLY

−103.21

4.08

9.67

A

286

GLY

C

57

THR

−103.21

4.08

9.67

B

57

THR

D

286

GLY

−103.21

4.08

9.67

B

286

GLY

D

57

THR

−103.21

4.08

9.67

A

5

ALA

C

291

THR

95.85

4.39

15.07

A

291

THR

C

5

ALA

95.85

4.39

15.07

B

5

ALA

D

291

THR

95.85

4.39

15.07

B

291

THR

D

5

ALA

95.85

4.39

15.07

A

46

TYR

C

232

TYR

−102.3

5.11

12.87

A

232

TYR

C

46

TYR

−102.3

5.11

12.87

B

46

TYR

D

232

TYR

−102.3

5.11

12.87

B

232

TYR

D

46

TYR

−102.3

5.11

12.87

A

161

GLY

C

51

ASN

109.57

6.52

15.23

B

51

ASN

D

161

GLY

109.57

6.52

15.23

A

51

ASN

C

161

GLY

109.57

6.53

15.23

B

161

GLY

D

51

ASN

109.57

6.53

15.23

A

122

ARG

D

150

THR

−92.51

7.78

12.07

B

150

THR

C

122

ARG

−92.51

7.78

12.07

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